2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde

C17H12F2N2O3 — CID 155311083

IUPAC2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(-c2ccc(OC(F)F)c(-c3ccccn3)c2)oc1C=O
InChIInChI=1S/C17H12F2N2O3/c1-10-15(9-22)23-16(21-10)11-5-6-14(24-17(18)19)12(8-11)13-4-2-3-7-20-13/h2-9,17H,1H3
InChIKeyILRKXKWMZTWZHO-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.13
Rot. Bonds5

About 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde

2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde (PubChem CID 155311083) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde
PubChem CID155311083
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde
SMILESCc1nc(-c2ccc(OC(F)F)c(-c3ccccn3)c2)oc1C=O
InChIInChI=1S/C17H12F2N2O3/c1-10-15(9-22)23-16(21-10)11-5-6-14(24-17(18)19)12(8-11)13-4-2-3-7-20-13/h2-9,17H,1H3
InChIKeyILRKXKWMZTWZHO-UHFFFAOYSA-N
XLogP4.13
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde (CID 155311083) is 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde is Cc1nc(-c2ccc(OC(F)F)c(-c3ccccn3)c2)oc1C=O.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde?
The InChIKey is ILRKXKWMZTWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-10-15(9-22)23-16(21-10)11-5-6-14(24-17(18)19)12(8-11)13-4-2-3-7-20-13/h2-9,17H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde?
2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde has a molecular weight of 330.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-4-methyl-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 155311083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).